Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2265708

CN1CCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.48
IRAK4 Q9NWZ3 2/20 0.42
IRAK1 P51617 1/20 0.38
KCNH2 Q12809 1/20 0.38
PARP2 Q9UGN5 5/20 0.38
PARP3 Q9Y6F1 2/20 0.38
MET P08581 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30158077 0.94 PARP1 (0.52) PARP1IRAK4IRAK1KCNH2PARP2
Trifluoroacetic Acid SCHEMBL2263819 0.88 PARP1 (0.41) PARP1IRAK4PARP2
SCHEMBL2264558 0.87 PARP1 (0.54) PARP1IRAK4PARP2PARP3
Trifluoroacetic Acid SCHEMBL2264136 0.87 PARP1 (0.40) PARP1IRAK4PARP2FGFR1FGFR2
Trifluoroacetic Acid SCHEMBL2267058 0.87 PARP1 (0.40) PARP1IRAK4PARP2
SCHEMBL2267859 0.87 PARP1 (0.57) PARP1IRAK4IRAK1KCNH2PARP2
Trifluoroacetic Acid SCHEMBL2264300 0.86 PARP1 (0.41) PARP1PARP2PARP3
Trifluoroacetic Acid SCHEMBL2265698 0.85 PARP1 (0.44) PARP1PARP2PARP3
Trifluoroacetic Acid SCHEMBL2265487 0.84 KDM2B (0.41) PARP1PARP2PARP3
Trifluoroacetic Acid SCHEMBL2264049 0.82 IRAK4 (0.47) PARP1IRAK4PARP2PARP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113288892-B Use of poly ADP-ribose polymerase inhibitors against coronaviruses 甫康(上海)健康科技有限责任公司 2024-04-26 CN disclosed
CN-113288892-A Application of poly ADP ribose polymerase inhibitor in resisting coronavirus 甫康(上海)健康科技有限责任公司 2021-08-24 CN disclosed
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 US disclosed
EP-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 PARP1 1/4885IRAK4 791/4885IRAK1 343/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885IRAK4 791/4885IRAK1 343/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.